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Title: Materials Data on Rb4U5O17 by Materials Project

Abstract

Rb4U5O17 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six O2- atoms to form RbO6 octahedra that share corners with four UO6 octahedra, corners with two equivalent UO7 pentagonal bipyramids, and edges with two equivalent RbO6 octahedra. The corner-sharing octahedra tilt angles range from 53–63°. There are a spread of Rb–O bond distances ranging from 2.83–2.98 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.37 Å. There are three inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form distorted UO6 octahedra that share a cornercorner with one RbO6 octahedra, corners with four UO6 octahedra, an edgeedge with one UO6 octahedra, and an edgeedge with one UO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 34–61°. There are a spread of U–O bond distances ranging from 1.85–2.33 Å. In the second U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with three equivalent RbO6 octahedra, corners with threemore » UO6 octahedra, a cornercorner with one UO7 pentagonal bipyramid, an edgeedge with one UO6 octahedra, and an edgeedge with one UO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 34–63°. There are a spread of U–O bond distances ranging from 1.86–2.30 Å. In the third U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO6 octahedra, corners with four equivalent RbO6 octahedra, and edges with four UO6 octahedra. The corner-sharing octahedra tilt angles range from 34–59°. There are a spread of U–O bond distances ranging from 1.85–2.48 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+ and three U6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three U6+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one U6+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to three U6+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms.« less

Publication Date:
Other Number(s):
mp-558239
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb4U5O17; O-Rb-U
OSTI Identifier:
1270237
DOI:
https://doi.org/10.17188/1270237

Citation Formats

The Materials Project. Materials Data on Rb4U5O17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270237.
The Materials Project. Materials Data on Rb4U5O17 by Materials Project. United States. doi:https://doi.org/10.17188/1270237
The Materials Project. 2020. "Materials Data on Rb4U5O17 by Materials Project". United States. doi:https://doi.org/10.17188/1270237. https://www.osti.gov/servlets/purl/1270237. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1270237,
title = {Materials Data on Rb4U5O17 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4U5O17 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six O2- atoms to form RbO6 octahedra that share corners with four UO6 octahedra, corners with two equivalent UO7 pentagonal bipyramids, and edges with two equivalent RbO6 octahedra. The corner-sharing octahedra tilt angles range from 53–63°. There are a spread of Rb–O bond distances ranging from 2.83–2.98 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.37 Å. There are three inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form distorted UO6 octahedra that share a cornercorner with one RbO6 octahedra, corners with four UO6 octahedra, an edgeedge with one UO6 octahedra, and an edgeedge with one UO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 34–61°. There are a spread of U–O bond distances ranging from 1.85–2.33 Å. In the second U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with three equivalent RbO6 octahedra, corners with three UO6 octahedra, a cornercorner with one UO7 pentagonal bipyramid, an edgeedge with one UO6 octahedra, and an edgeedge with one UO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 34–63°. There are a spread of U–O bond distances ranging from 1.86–2.30 Å. In the third U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO6 octahedra, corners with four equivalent RbO6 octahedra, and edges with four UO6 octahedra. The corner-sharing octahedra tilt angles range from 34–59°. There are a spread of U–O bond distances ranging from 1.85–2.48 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+ and three U6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three U6+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one U6+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to three U6+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms.},
doi = {10.17188/1270237},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}